Table 2.

Structural statistics of the 20 lowest energy structures

Total NOE restraints	283
Intraresidue	87
Sequential	102
Medium (1 < |i − j| < 5)	94
Long (|i − j| ≥ 5)	0
Energies (kcal/mol)
Overall	21.82 ± 0.70
Bonds	0.83 ± 0.06
Angles	12.27 ± 0.29
Impropers	0.61 ± 0.10
Vdw	3.48 ± 0.48
NOE	4.63 ± 0.46
RMSD from experimental restraints
NOE distance restraints (Å)	0.0148 ± 0.0007
RMSD from ideal covalent geometry
Bonds (Å)	0.0011 ± 0.0001
Angles (°)	0.251 ± 0.003
Impropers	0.108 ± 0.008
Ramachandran analysis
Residues in most favored regions	89.6%
Residues in additionally allowed regions	8.2%
Residues in generously allowed regions	1.6%
Residues in disallowed regions	0.6%
RMSD relative to the mean structure (Å)	Backbone	All non-H
Residues 5–36	1.91 ± 0.53	2.97 ± 1.05
Residues 5–22	0.66 ± 0.23	1.24 ± 0.22
Residues 23–36	0.64 ± 0.20	1.37 ± 0.22